CID 36573
Acesulfame
Structural Information
- Molecular Formula
- C4H5NO4S
- SMILES
- CC1=CC(=O)NS(=O)(=O)O1
- InChI
- InChI=1S/C4H5NO4S/c1-3-2-4(6)5-10(7,8)9-3/h2H,1H3,(H,5,6)
- InChIKey
- YGCFIWIQZPHFLU-UHFFFAOYSA-N
- Compound name
- 6-methyl-2,2-dioxooxathiazin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 164.00121 | 129.2 |
[M+Na]+ | 185.98315 | 140.3 |
[M+NH4]+ | 181.02775 | 137.4 |
[M+K]+ | 201.95709 | 133.1 |
[M-H]- | 161.98665 | 129.7 |
[M+Na-2H]- | 183.96860 | 133.9 |
[M]+ | 162.99338 | 131.3 |
[M]- | 162.99448 | 131.3 |